4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene

C267H361Cl2N37O8S5 — CID 161287333

IUPAC4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
SMILESC=CCC(=O)Nc1ncc(C)c(C(C)(C)C)n1.CC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2oc(N)nc2c1.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncoc12.CC(C)(C)c1cccc2onc(N)c12.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)n1cc(Cl)ccc1=O.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc(C(C)(C)C)s1.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cnc(N)nc1C(C)(C)C.Cc1nc(N)ncc1C(C)(C)C
InChIInChI=1S/C13H19N3O.3C13H15N.C12H16N2O.C12H16N2.C12H14N2.C12H15NO.2C11H14N2O.3C11H14N2.C11H13NO.C10H14O.C9H12ClNO.2C9H15N3.2C9H13N.C9H14S.C8H11ClS.C8H12S.C7H12N2.2C7H11NS/c1-6-7-10(17)15-12-14-8-9(2)11(16-12)13(3,4)5;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;1-11(2,3)7-5-4-6-8-9(7)10(12)13-14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)11-6-7(10)4-5-8(11)12;1-6-7(9(2,3)4)5-11-8(10)12-6;1-6-5-11-8(10)12-7(6)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h6,8H,1,7H2,2-5H3,(H,14,15,16,17);3*4-9H,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);4-8H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-6H,1-3H3,(H2,12,13);3*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;2*5H,1-4H3,(H2,10,11,12);2*4-7H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3
InChIKeyVFWWIDFQKKRPJY-UHFFFAOYSA-N
MW4448.32 g/mol
LogP71.28
Rot. Bonds4

About 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene

4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene (PubChem CID 161287333) has the molecular formula C267H361Cl2N37O8S5 and a molecular weight of 4448.32 g/mol. Its IUPAC name is 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene.

Molecular Properties

Compound Name4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
PubChem CID161287333
Molecular FormulaC267H361Cl2N37O8S5
Molecular Weight4448.32 g/mol
Exact Mass4443.70
IUPAC Name4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
SMILESC=CCC(=O)Nc1ncc(C)c(C(C)(C)C)n1.CC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2oc(N)nc2c1.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncoc12.CC(C)(C)c1cccc2onc(N)c12.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)n1cc(Cl)ccc1=O.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc(C(C)(C)C)s1.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cnc(N)nc1C(C)(C)C.Cc1nc(N)ncc1C(C)(C)C
InChIInChI=1S/C13H19N3O.3C13H15N.C12H16N2O.C12H16N2.C12H14N2.C12H15NO.2C11H14N2O.3C11H14N2.C11H13NO.C10H14O.C9H12ClNO.2C9H15N3.2C9H13N.C9H14S.C8H11ClS.C8H12S.C7H12N2.2C7H11NS/c1-6-7-10(17)15-12-14-8-9(2)11(16-12)13(3,4)5;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;1-11(2,3)7-5-4-6-8-9(7)10(12)13-14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)11-6-7(10)4-5-8(11)12;1-6-7(9(2,3)4)5-11-8(10)12-6;1-6-5-11-8(10)12-7(6)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h6,8H,1,7H2,2-5H3,(H,14,15,16,17);3*4-9H,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);4-8H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-6H,1-3H3,(H2,12,13);3*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;2*5H,1-4H3,(H2,10,11,12);2*4-7H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3
InChIKeyVFWWIDFQKKRPJY-UHFFFAOYSA-N
XLogP71.28
TPSA654.10 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds4
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004448.32
LogP ≤ 571.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158246934
2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;3-(2-chlorophenyl)-5-methyl-1,2-oxazole;3-(4-chlorophenyl)-5-methyl-1,2-oxazole;1-(2,4-dichlorophenyl)-3,5-dimethyl-1,2,4-triazole;1,3-dimethylquinolin-4-one;3-(4-fluorophenyl)-5-methyl-1,2-oxazole;5-methoxy-3-methyl-1H-indole;7-methoxy-3-methyl-1H-indole;4-methoxy-2-methylquinoline;3-methyl-5-(3-methylphenyl)-1,2-oxazole;4-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-5-phenyl-1,3-oxazole;5-methyl-3-phenyl-1,2-oxazole;5-methyl-3-phenyl-1H-pyrazole;2-methyl-5-(trifluoromethoxy)-1H-indole;3-methyl-2-(trifluoromethyl)-1,8-naphthyridine
CID 159091836
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;bis(3-tert-butyl-1-methylindazole);7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;bis(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 159806774
CID 159991720
CID 159991720
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,2-benzothiazole;6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;7-tert-butylquinazoline;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
CID 157095381
2-Tert-butyl-5,6-dimethylfuro[3,2-b]pyridine;3-tert-butyl-5,6-dimethylfuro[3,2-b]pyridine;5-tert-butyl-2,3-dimethylfuro[2,3-b]pyridine;6-tert-butyl-2,3-dimethylfuro[3,2-b]pyridine;6-tert-butyl-3,4-dimethylpyridazine;5-tert-butyl-2,4-dimethylpyrimidine;2-tert-butyl-5,6-dimethylthieno[3,2-b]pyridine;3-tert-butyl-5,6-dimethylthieno[3,2-b]pyridine;5-tert-butyl-2,3-dimethylthieno[2,3-b]pyridine;6-tert-butyl-2,3-dimethylthieno[3,2-b]pyridine;4-tert-butyl-1-methyl-1,2-dihydrophthalazine;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;2-tert-butyl-3,5,6-trimethylpyrazine;3-tert-butyl-2,5,6-trimethylpyridine;3-tert-butyl-2,6,7-trimethylquinoline
CID 157127832
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,2-benzothiazole;6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butylcinnoline;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;7-tert-butylquinazoline;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
CID 157154327
2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)oxymethanamine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157237907
CID 157282765
CID 157282765
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylpyrido[3,2-d]pyrimidine;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 157323746
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;undecakis(2,2-dimethylpropane);1-(2,2-dimethylpropyl)indazole;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole
CID 157369125
3-chloro-2,6-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene
CID 157369529

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The IUPAC name of 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene (CID 161287333) is 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene.
What is the SMILES notation for 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The canonical SMILES for 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene is C=CCC(=O)Nc1ncc(C)c(C(C)(C)C)n1.CC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2oc(N)nc2c1.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncoc12.CC(C)(C)c1cccc2onc(N)c12.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)n1cc(Cl)ccc1=O.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc(C(C)(C)C)s1.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cnc(N)nc1C(C)(C)C.Cc1nc(N)ncc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The InChIKey is VFWWIDFQKKRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.3C13H15N.C12H16N2O.C12H16N2.C12H14N2.C12H15NO.2C11H14N2O.3C11H14N2.C11H13NO.C10H14O.C9H12ClNO.2C9H15N3.2C9H13N.C9H14S.C8H11ClS.C8H12S.C7H12N2.2C7H11NS/c1-6-7-10(17)15-12-14-8-9(2)11(16-12)13(3,4)5;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;1-11(2,3)7-5-4-6-8-9(7)10(12)13-14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)11-6-7(10)4-5-8(11)12;1-6-7(9(2,3)4)5-11-8(10)12-6;1-6-5-11-8(10)12-7(6)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h6,8H,1,7H2,2-5H3,(H,14,15,16,17);3*4-9H,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);4-8H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-6H,1-3H3,(H2,12,13);3*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;2*5H,1-4H3,(H2,10,11,12);2*4-7H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3.
What are the key properties of 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene has a molecular weight of 4448.32 g/mol, XLogP of 71.28, 4 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene is sourced from PubChem (CID 161287333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).